USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 THR OG1 : rot 154:sc= 0.19 USER MOD Set 1.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 44 LYS NZ :NH3+ -118:sc= 0.272 (180deg=-0.0869) USER MOD Set 2.2: A 77 TYR OH : rot 93:sc= 0.135 USER MOD Single : A 13 GLN : amide:sc= -0.0222 X(o=-0.022,f=-0.024) USER MOD Single : A 17 ASN : amide:sc= -0.707 X(o=-0.71,f=-0.85) USER MOD Single : A 18 GLN : amide:sc= 0.0393 X(o=0.039,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.641 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 41 SER OG : rot 72:sc= 0.0368 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.59) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 103:sc= 0.047 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 176:sc= -0.799 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0973 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 8.910 15.409 -0.108 1.00 0.00 N ATOM 81 CA PRO A 9 8.532 14.269 0.733 1.00 0.00 C ATOM 82 C PRO A 9 9.355 13.023 0.425 1.00 0.00 C ATOM 83 O PRO A 9 9.385 12.553 -0.712 1.00 0.00 O ATOM 84 CB PRO A 9 7.061 14.039 0.377 1.00 0.00 C ATOM 85 CG PRO A 9 6.913 14.589 -1.000 1.00 0.00 C ATOM 86 CD PRO A 9 7.864 15.751 -1.086 1.00 0.00 C ATOM 0 HA PRO A 9 8.703 14.468 1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.807 12.979 0.409 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.400 14.547 1.079 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.151 13.834 -1.749 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.888 14.909 -1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.273 15.862 -2.090 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.373 16.692 -0.837 1.00 0.00 H new ATOM 94 N ILE A 10 10.022 12.494 1.445 1.00 0.00 N ATOM 95 CA ILE A 10 10.844 11.301 1.283 1.00 0.00 C ATOM 96 C ILE A 10 10.204 10.095 1.963 1.00 0.00 C ATOM 97 O ILE A 10 9.849 10.151 3.141 1.00 0.00 O ATOM 98 CB ILE A 10 12.258 11.510 1.857 1.00 0.00 C ATOM 99 CG1 ILE A 10 12.983 12.619 1.093 1.00 0.00 C ATOM 100 CG2 ILE A 10 13.050 10.213 1.797 1.00 0.00 C ATOM 101 CD1 ILE A 10 14.214 13.137 1.803 1.00 0.00 C ATOM 0 H ILE A 10 10.009 12.872 2.392 1.00 0.00 H new ATOM 0 HA ILE A 10 10.919 11.113 0.212 1.00 0.00 H new ATOM 0 HB ILE A 10 12.170 11.812 2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.271 12.244 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.293 13.447 0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.047 10.376 2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.539 9.447 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 10 13.132 9.884 0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.677 13.921 1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.930 13.543 2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.923 12.321 1.944 1.00 0.00 H new ATOM 113 N ILE A 11 10.062 9.007 1.215 1.00 0.00 N ATOM 114 CA ILE A 11 9.468 7.787 1.746 1.00 0.00 C ATOM 115 C ILE A 11 10.479 6.999 2.574 1.00 0.00 C ATOM 116 O ILE A 11 11.092 6.049 2.085 1.00 0.00 O ATOM 117 CB ILE A 11 8.930 6.885 0.620 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.929 7.655 -0.244 1.00 0.00 C ATOM 119 CG2 ILE A 11 8.285 5.637 1.203 1.00 0.00 C ATOM 120 CD1 ILE A 11 7.178 6.780 -1.223 1.00 0.00 C ATOM 0 H ILE A 11 10.350 8.945 0.239 1.00 0.00 H new ATOM 0 HA ILE A 11 8.638 8.092 2.383 1.00 0.00 H new ATOM 0 HB ILE A 11 9.765 6.577 -0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.212 8.158 0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.459 8.431 -0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.910 5.010 0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.024 5.081 1.780 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.458 5.924 1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.486 7.392 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.886 6.297 -1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.620 6.019 -0.677 1.00 0.00 H new ATOM 132 N LEU A 12 10.646 7.399 3.830 1.00 0.00 N ATOM 133 CA LEU A 12 11.581 6.729 4.727 1.00 0.00 C ATOM 134 C LEU A 12 11.528 5.216 4.538 1.00 0.00 C ATOM 135 O LEU A 12 12.555 4.539 4.589 1.00 0.00 O ATOM 136 CB LEU A 12 11.266 7.084 6.181 1.00 0.00 C ATOM 137 CG LEU A 12 11.455 8.550 6.571 1.00 0.00 C ATOM 138 CD1 LEU A 12 10.759 8.847 7.890 1.00 0.00 C ATOM 139 CD2 LEU A 12 12.935 8.892 6.658 1.00 0.00 C ATOM 0 H LEU A 12 10.147 8.183 4.250 1.00 0.00 H new ATOM 0 HA LEU A 12 12.587 7.072 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.233 6.805 6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.896 6.473 6.828 1.00 0.00 H new ATOM 0 HG LEU A 12 11.003 9.172 5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.905 9.895 8.150 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.693 8.642 7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.180 8.217 8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.051 9.939 6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.410 8.262 7.410 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.406 8.720 5.690 1.00 0.00 H new ATOM 151 N GLN A 13 10.326 4.694 4.318 1.00 0.00 N ATOM 152 CA GLN A 13 10.141 3.261 4.120 1.00 0.00 C ATOM 153 C GLN A 13 8.787 2.971 3.481 1.00 0.00 C ATOM 154 O GLN A 13 7.744 3.139 4.110 1.00 0.00 O ATOM 155 CB GLN A 13 10.259 2.521 5.453 1.00 0.00 C ATOM 156 CG GLN A 13 10.463 1.022 5.301 1.00 0.00 C ATOM 157 CD GLN A 13 11.854 0.669 4.813 1.00 0.00 C ATOM 158 OE1 GLN A 13 12.850 0.957 5.478 1.00 0.00 O ATOM 159 NE2 GLN A 13 11.931 0.042 3.645 1.00 0.00 N ATOM 0 H GLN A 13 9.466 5.241 4.272 1.00 0.00 H new ATOM 0 HA GLN A 13 10.923 2.908 3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.093 2.937 6.018 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.357 2.699 6.039 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.284 0.536 6.260 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.726 0.628 4.602 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.080 -0.177 3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.841 -0.220 3.266 1.00 0.00 H new ATOM 168 N GLY A 14 8.812 2.532 2.226 1.00 0.00 N ATOM 169 CA GLY A 14 7.580 2.226 1.523 1.00 0.00 C ATOM 170 C GLY A 14 7.214 0.757 1.607 1.00 0.00 C ATOM 171 O GLY A 14 7.691 0.026 2.475 1.00 0.00 O ATOM 0 H GLY A 14 9.663 2.383 1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.769 2.824 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.682 2.513 0.476 1.00 0.00 H new ATOM 175 N PRO A 15 6.345 0.306 0.691 1.00 0.00 N ATOM 176 CA PRO A 15 5.895 -1.088 0.645 1.00 0.00 C ATOM 177 C PRO A 15 7.002 -2.041 0.207 1.00 0.00 C ATOM 178 O PRO A 15 8.167 -1.654 0.116 1.00 0.00 O ATOM 179 CB PRO A 15 4.769 -1.064 -0.392 1.00 0.00 C ATOM 180 CG PRO A 15 5.083 0.102 -1.264 1.00 0.00 C ATOM 181 CD PRO A 15 5.735 1.122 -0.373 1.00 0.00 C ATOM 0 HA PRO A 15 5.582 -1.447 1.625 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.739 -1.991 -0.965 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.795 -0.952 0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.748 -0.187 -2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.178 0.504 -1.720 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.483 1.706 -0.910 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.008 1.828 0.029 1.00 0.00 H new ATOM 189 N ALA A 16 6.631 -3.288 -0.063 1.00 0.00 N ATOM 190 CA ALA A 16 7.593 -4.295 -0.494 1.00 0.00 C ATOM 191 C ALA A 16 6.886 -5.527 -1.049 1.00 0.00 C ATOM 192 O ALA A 16 5.730 -5.790 -0.723 1.00 0.00 O ATOM 193 CB ALA A 16 8.504 -4.682 0.661 1.00 0.00 C ATOM 0 H ALA A 16 5.671 -3.625 0.009 1.00 0.00 H new ATOM 0 HA ALA A 16 8.199 -3.866 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.217 -5.435 0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.043 -3.801 1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.905 -5.088 1.476 1.00 0.00 H new ATOM 199 N ASN A 17 7.590 -6.278 -1.890 1.00 0.00 N ATOM 200 CA ASN A 17 7.029 -7.482 -2.491 1.00 0.00 C ATOM 201 C ASN A 17 6.795 -8.559 -1.436 1.00 0.00 C ATOM 202 O ASN A 17 7.741 -9.173 -0.943 1.00 0.00 O ATOM 203 CB ASN A 17 7.961 -8.015 -3.582 1.00 0.00 C ATOM 204 CG ASN A 17 9.423 -7.923 -3.189 1.00 0.00 C ATOM 205 OD1 ASN A 17 10.103 -6.949 -3.510 1.00 0.00 O ATOM 206 ND2 ASN A 17 9.912 -8.940 -2.490 1.00 0.00 N ATOM 0 H ASN A 17 8.549 -6.074 -2.170 1.00 0.00 H new ATOM 0 HA ASN A 17 6.069 -7.221 -2.937 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.710 -9.054 -3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.799 -7.453 -4.501 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.889 -8.934 -2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.311 -9.727 -2.246 1.00 0.00 H new ATOM 213 N GLN A 18 5.530 -8.783 -1.097 1.00 0.00 N ATOM 214 CA GLN A 18 5.172 -9.786 -0.100 1.00 0.00 C ATOM 215 C GLN A 18 4.198 -10.806 -0.680 1.00 0.00 C ATOM 216 O GLN A 18 3.249 -10.447 -1.378 1.00 0.00 O ATOM 217 CB GLN A 18 4.557 -9.116 1.130 1.00 0.00 C ATOM 218 CG GLN A 18 3.488 -8.089 0.792 1.00 0.00 C ATOM 219 CD GLN A 18 3.127 -7.213 1.976 1.00 0.00 C ATOM 220 OE1 GLN A 18 2.880 -7.707 3.076 1.00 0.00 O ATOM 221 NE2 GLN A 18 3.094 -5.904 1.755 1.00 0.00 N ATOM 0 H GLN A 18 4.736 -8.284 -1.498 1.00 0.00 H new ATOM 0 HA GLN A 18 6.082 -10.308 0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.123 -9.882 1.772 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.347 -8.631 1.703 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.839 -7.461 -0.027 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.594 -8.603 0.439 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.306 -5.538 0.827 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.857 -5.265 2.513 1.00 0.00 H new ATOM 230 N THR A 19 4.438 -12.080 -0.386 1.00 0.00 N ATOM 231 CA THR A 19 3.583 -13.152 -0.879 1.00 0.00 C ATOM 232 C THR A 19 2.662 -13.670 0.219 1.00 0.00 C ATOM 233 O THR A 19 3.075 -14.461 1.069 1.00 0.00 O ATOM 234 CB THR A 19 4.415 -14.326 -1.431 1.00 0.00 C ATOM 235 OG1 THR A 19 5.307 -13.858 -2.449 1.00 0.00 O ATOM 236 CG2 THR A 19 3.512 -15.409 -2.000 1.00 0.00 C ATOM 0 H THR A 19 5.218 -12.394 0.191 1.00 0.00 H new ATOM 0 HA THR A 19 2.982 -12.731 -1.685 1.00 0.00 H new ATOM 0 HB THR A 19 4.992 -14.751 -0.610 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.833 -14.609 -2.793 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.122 -16.227 -2.384 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.854 -15.784 -1.216 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.911 -14.994 -2.809 1.00 0.00 H new ATOM 244 N LEU A 20 1.412 -13.220 0.197 1.00 0.00 N ATOM 245 CA LEU A 20 0.431 -13.639 1.192 1.00 0.00 C ATOM 246 C LEU A 20 -0.552 -14.643 0.598 1.00 0.00 C ATOM 247 O LEU A 20 -0.454 -15.003 -0.575 1.00 0.00 O ATOM 248 CB LEU A 20 -0.327 -12.425 1.732 1.00 0.00 C ATOM 249 CG LEU A 20 0.526 -11.343 2.396 1.00 0.00 C ATOM 250 CD1 LEU A 20 -0.314 -10.111 2.697 1.00 0.00 C ATOM 251 CD2 LEU A 20 1.168 -11.876 3.669 1.00 0.00 C ATOM 0 H LEU A 20 1.054 -12.565 -0.499 1.00 0.00 H new ATOM 0 HA LEU A 20 0.964 -14.121 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.879 -11.971 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.064 -12.774 2.456 1.00 0.00 H new ATOM 0 HG LEU A 20 1.319 -11.058 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.310 -9.352 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.726 -9.716 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.128 -10.381 3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.771 -11.093 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.390 -12.190 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.803 -12.728 3.427 1.00 0.00 H new ATOM 263 N ALA A 21 -1.500 -15.090 1.415 1.00 0.00 N ATOM 264 CA ALA A 21 -2.504 -16.048 0.970 1.00 0.00 C ATOM 265 C ALA A 21 -3.852 -15.370 0.751 1.00 0.00 C ATOM 266 O ALA A 21 -4.229 -14.462 1.491 1.00 0.00 O ATOM 267 CB ALA A 21 -2.637 -17.180 1.978 1.00 0.00 C ATOM 0 H ALA A 21 -1.594 -14.804 2.389 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.177 -16.462 0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.390 -17.888 1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.679 -17.690 2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.937 -16.774 2.944 1.00 0.00 H new ATOM 273 N VAL A 22 -4.574 -15.816 -0.272 1.00 0.00 N ATOM 274 CA VAL A 22 -5.881 -15.253 -0.588 1.00 0.00 C ATOM 275 C VAL A 22 -6.832 -15.369 0.598 1.00 0.00 C ATOM 276 O VAL A 22 -6.646 -16.213 1.475 1.00 0.00 O ATOM 277 CB VAL A 22 -6.513 -15.950 -1.808 1.00 0.00 C ATOM 278 CG1 VAL A 22 -6.875 -17.388 -1.473 1.00 0.00 C ATOM 279 CG2 VAL A 22 -7.735 -15.181 -2.286 1.00 0.00 C ATOM 0 H VAL A 22 -4.276 -16.566 -0.896 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.723 -14.200 -0.821 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.782 -15.964 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.320 -17.864 -2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.976 -17.931 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.589 -17.401 -0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.169 -15.687 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.472 -15.134 -1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.441 -14.170 -2.569 1.00 0.00 H new ATOM 289 N ASP A 23 -7.850 -14.516 0.619 1.00 0.00 N ATOM 290 CA ASP A 23 -8.831 -14.523 1.698 1.00 0.00 C ATOM 291 C ASP A 23 -8.154 -14.333 3.051 1.00 0.00 C ATOM 292 O ASP A 23 -8.377 -15.105 3.983 1.00 0.00 O ATOM 293 CB ASP A 23 -9.621 -15.833 1.688 1.00 0.00 C ATOM 294 CG ASP A 23 -10.680 -15.863 0.604 1.00 0.00 C ATOM 295 OD1 ASP A 23 -11.630 -15.055 0.680 1.00 0.00 O ATOM 296 OD2 ASP A 23 -10.559 -16.694 -0.320 1.00 0.00 O ATOM 0 H ASP A 23 -8.018 -13.811 -0.099 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.517 -13.692 1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.934 -16.667 1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.095 -15.975 2.659 1.00 0.00 H new ATOM 301 N GLY A 24 -7.322 -13.300 3.151 1.00 0.00 N ATOM 302 CA GLY A 24 -6.623 -13.028 4.394 1.00 0.00 C ATOM 303 C GLY A 24 -6.557 -11.547 4.709 1.00 0.00 C ATOM 304 O GLY A 24 -7.585 -10.897 4.897 1.00 0.00 O ATOM 0 H GLY A 24 -7.120 -12.647 2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.124 -13.548 5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.611 -13.429 4.334 1.00 0.00 H new ATOM 308 N THR A 25 -5.342 -11.010 4.768 1.00 0.00 N ATOM 309 CA THR A 25 -5.144 -9.597 5.065 1.00 0.00 C ATOM 310 C THR A 25 -3.778 -9.120 4.585 1.00 0.00 C ATOM 311 O THR A 25 -2.744 -9.588 5.061 1.00 0.00 O ATOM 312 CB THR A 25 -5.271 -9.318 6.575 1.00 0.00 C ATOM 313 OG1 THR A 25 -6.269 -10.170 7.149 1.00 0.00 O ATOM 314 CG2 THR A 25 -5.633 -7.862 6.827 1.00 0.00 C ATOM 0 H THR A 25 -4.480 -11.533 4.614 1.00 0.00 H new ATOM 0 HA THR A 25 -5.923 -9.050 4.534 1.00 0.00 H new ATOM 0 HB THR A 25 -4.308 -9.523 7.042 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.342 -9.987 8.109 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.717 -7.688 7.900 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.856 -7.217 6.415 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.585 -7.635 6.347 1.00 0.00 H new ATOM 322 N ALA A 26 -3.781 -8.186 3.640 1.00 0.00 N ATOM 323 CA ALA A 26 -2.542 -7.644 3.097 1.00 0.00 C ATOM 324 C ALA A 26 -2.270 -6.246 3.641 1.00 0.00 C ATOM 325 O ALA A 26 -3.045 -5.316 3.409 1.00 0.00 O ATOM 326 CB ALA A 26 -2.598 -7.619 1.577 1.00 0.00 C ATOM 0 H ALA A 26 -4.628 -7.789 3.234 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.723 -8.293 3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.666 -7.212 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.737 -8.633 1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.431 -6.995 1.254 1.00 0.00 H new ATOM 332 N LEU A 27 -1.167 -6.103 4.367 1.00 0.00 N ATOM 333 CA LEU A 27 -0.793 -4.817 4.945 1.00 0.00 C ATOM 334 C LEU A 27 0.446 -4.250 4.258 1.00 0.00 C ATOM 335 O LEU A 27 1.528 -4.833 4.326 1.00 0.00 O ATOM 336 CB LEU A 27 -0.534 -4.966 6.445 1.00 0.00 C ATOM 337 CG LEU A 27 -1.771 -5.150 7.325 1.00 0.00 C ATOM 338 CD1 LEU A 27 -2.326 -3.801 7.755 1.00 0.00 C ATOM 339 CD2 LEU A 27 -2.832 -5.956 6.590 1.00 0.00 C ATOM 0 H LEU A 27 -0.516 -6.862 4.569 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.620 -4.124 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.125 -5.821 6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.004 -4.083 6.790 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.479 -5.701 8.219 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.206 -3.952 8.380 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.568 -3.259 8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.603 -3.224 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.705 -6.078 7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.121 -5.432 5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.431 -6.937 6.333 1.00 0.00 H new ATOM 351 N LEU A 28 0.279 -3.109 3.598 1.00 0.00 N ATOM 352 CA LEU A 28 1.384 -2.461 2.899 1.00 0.00 C ATOM 353 C LEU A 28 1.953 -1.314 3.727 1.00 0.00 C ATOM 354 O LEU A 28 1.424 -0.202 3.713 1.00 0.00 O ATOM 355 CB LEU A 28 0.918 -1.942 1.538 1.00 0.00 C ATOM 356 CG LEU A 28 0.555 -3.006 0.502 1.00 0.00 C ATOM 357 CD1 LEU A 28 -0.890 -3.447 0.673 1.00 0.00 C ATOM 358 CD2 LEU A 28 0.791 -2.481 -0.907 1.00 0.00 C ATOM 0 H LEU A 28 -0.610 -2.614 3.532 1.00 0.00 H new ATOM 0 HA LEU A 28 2.170 -3.200 2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.048 -1.303 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.705 -1.313 1.123 1.00 0.00 H new ATOM 0 HG LEU A 28 1.198 -3.872 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.130 -4.204 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.028 -3.864 1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.550 -2.589 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.527 -3.252 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.173 -1.599 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.842 -2.216 -1.025 1.00 0.00 H new ATOM 370 N LYS A 29 3.036 -1.589 4.446 1.00 0.00 N ATOM 371 CA LYS A 29 3.681 -0.580 5.277 1.00 0.00 C ATOM 372 C LYS A 29 4.285 0.527 4.419 1.00 0.00 C ATOM 373 O LYS A 29 4.924 0.259 3.402 1.00 0.00 O ATOM 374 CB LYS A 29 4.769 -1.221 6.142 1.00 0.00 C ATOM 375 CG LYS A 29 4.223 -2.014 7.317 1.00 0.00 C ATOM 376 CD LYS A 29 3.866 -3.434 6.913 1.00 0.00 C ATOM 377 CE LYS A 29 3.242 -4.202 8.069 1.00 0.00 C ATOM 378 NZ LYS A 29 3.430 -5.672 7.924 1.00 0.00 N ATOM 0 H LYS A 29 3.486 -2.504 4.470 1.00 0.00 H new ATOM 0 HA LYS A 29 2.923 -0.140 5.925 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.375 -1.880 5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.430 -0.440 6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.963 -2.037 8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.339 -1.515 7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.172 -3.411 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.762 -3.953 6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.686 -3.870 9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.177 -3.976 8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.991 -6.159 8.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.984 -5.994 7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.446 -5.891 7.898 1.00 0.00 H new ATOM 392 N CYS A 30 4.079 1.772 4.837 1.00 0.00 N ATOM 393 CA CYS A 30 4.604 2.920 4.107 1.00 0.00 C ATOM 394 C CYS A 30 4.774 4.121 5.033 1.00 0.00 C ATOM 395 O CYS A 30 3.934 4.378 5.895 1.00 0.00 O ATOM 396 CB CYS A 30 3.674 3.283 2.948 1.00 0.00 C ATOM 397 SG CYS A 30 4.473 4.254 1.630 1.00 0.00 S ATOM 0 H CYS A 30 3.552 2.011 5.677 1.00 0.00 H new ATOM 0 HA CYS A 30 5.582 2.649 3.708 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.273 2.366 2.517 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.828 3.848 3.339 1.00 0.00 H new ATOM 402 N LYS A 31 5.867 4.853 4.849 1.00 0.00 N ATOM 403 CA LYS A 31 6.149 6.028 5.665 1.00 0.00 C ATOM 404 C LYS A 31 6.811 7.122 4.834 1.00 0.00 C ATOM 405 O LYS A 31 7.733 6.857 4.063 1.00 0.00 O ATOM 406 CB LYS A 31 7.050 5.652 6.843 1.00 0.00 C ATOM 407 CG LYS A 31 7.490 6.843 7.676 1.00 0.00 C ATOM 408 CD LYS A 31 6.410 7.267 8.658 1.00 0.00 C ATOM 409 CE LYS A 31 6.467 6.448 9.938 1.00 0.00 C ATOM 410 NZ LYS A 31 5.382 6.823 10.885 1.00 0.00 N ATOM 0 H LYS A 31 6.573 4.653 4.141 1.00 0.00 H new ATOM 0 HA LYS A 31 5.202 6.410 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.521 4.947 7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.933 5.138 6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.400 6.591 8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.733 7.678 7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.528 8.324 8.896 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.430 7.152 8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.387 5.388 9.695 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.435 6.592 10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.455 6.242 11.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.473 7.828 11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.458 6.661 10.436 1.00 0.00 H new ATOM 424 N ALA A 32 6.334 8.352 4.996 1.00 0.00 N ATOM 425 CA ALA A 32 6.883 9.487 4.263 1.00 0.00 C ATOM 426 C ALA A 32 6.872 10.750 5.118 1.00 0.00 C ATOM 427 O ALA A 32 5.853 11.099 5.715 1.00 0.00 O ATOM 428 CB ALA A 32 6.102 9.711 2.977 1.00 0.00 C ATOM 0 H ALA A 32 5.569 8.588 5.628 1.00 0.00 H new ATOM 0 HA ALA A 32 7.919 9.259 4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.522 10.561 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.166 8.820 2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.058 9.913 3.216 1.00 0.00 H new ATOM 434 N THR A 33 8.011 11.432 5.173 1.00 0.00 N ATOM 435 CA THR A 33 8.133 12.655 5.956 1.00 0.00 C ATOM 436 C THR A 33 8.106 13.887 5.059 1.00 0.00 C ATOM 437 O THR A 33 8.341 13.795 3.854 1.00 0.00 O ATOM 438 CB THR A 33 9.432 12.665 6.783 1.00 0.00 C ATOM 439 OG1 THR A 33 9.494 13.851 7.584 1.00 0.00 O ATOM 440 CG2 THR A 33 10.652 12.594 5.877 1.00 0.00 C ATOM 0 H THR A 33 8.863 11.158 4.684 1.00 0.00 H new ATOM 0 HA THR A 33 7.279 12.683 6.633 1.00 0.00 H new ATOM 0 HB THR A 33 9.430 11.789 7.431 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.322 13.849 8.108 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.557 12.602 6.484 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.617 11.676 5.291 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.657 13.453 5.206 1.00 0.00 H new ATOM 448 N GLY A 34 7.819 15.041 5.654 1.00 0.00 N ATOM 449 CA GLY A 34 7.768 16.275 4.893 1.00 0.00 C ATOM 450 C GLY A 34 6.830 17.296 5.506 1.00 0.00 C ATOM 451 O GLY A 34 6.069 16.979 6.421 1.00 0.00 O ATOM 0 H GLY A 34 7.621 15.143 6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.770 16.700 4.828 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.447 16.057 3.874 1.00 0.00 H new ATOM 455 N ASP A 35 6.885 18.524 5.004 1.00 0.00 N ATOM 456 CA ASP A 35 6.034 19.596 5.509 1.00 0.00 C ATOM 457 C ASP A 35 5.583 20.512 4.376 1.00 0.00 C ATOM 458 O ASP A 35 6.395 21.084 3.648 1.00 0.00 O ATOM 459 CB ASP A 35 6.775 20.406 6.573 1.00 0.00 C ATOM 460 CG ASP A 35 6.110 21.739 6.853 1.00 0.00 C ATOM 461 OD1 ASP A 35 4.974 21.738 7.373 1.00 0.00 O ATOM 462 OD2 ASP A 35 6.725 22.784 6.554 1.00 0.00 O ATOM 0 H ASP A 35 7.510 18.803 4.248 1.00 0.00 H new ATOM 0 HA ASP A 35 5.150 19.143 5.959 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.826 19.828 7.496 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.801 20.577 6.247 1.00 0.00 H new ATOM 467 N PRO A 36 4.259 20.655 4.221 1.00 0.00 N ATOM 468 CA PRO A 36 3.283 19.978 5.081 1.00 0.00 C ATOM 469 C PRO A 36 3.248 18.472 4.844 1.00 0.00 C ATOM 470 O PRO A 36 3.506 18.002 3.735 1.00 0.00 O ATOM 471 CB PRO A 36 1.952 20.615 4.676 1.00 0.00 C ATOM 472 CG PRO A 36 2.165 21.084 3.278 1.00 0.00 C ATOM 473 CD PRO A 36 3.611 21.487 3.193 1.00 0.00 C ATOM 0 HA PRO A 36 3.522 20.093 6.138 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.136 19.895 4.732 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.693 21.443 5.336 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.937 20.294 2.562 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.511 21.924 3.044 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.024 21.296 2.202 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.744 22.550 3.394 1.00 0.00 H new ATOM 481 N LEU A 37 2.925 17.721 5.891 1.00 0.00 N ATOM 482 CA LEU A 37 2.855 16.267 5.796 1.00 0.00 C ATOM 483 C LEU A 37 2.274 15.836 4.453 1.00 0.00 C ATOM 484 O LEU A 37 1.295 16.400 3.963 1.00 0.00 O ATOM 485 CB LEU A 37 2.006 15.702 6.937 1.00 0.00 C ATOM 486 CG LEU A 37 1.567 14.245 6.789 1.00 0.00 C ATOM 487 CD1 LEU A 37 2.619 13.310 7.363 1.00 0.00 C ATOM 488 CD2 LEU A 37 0.224 14.021 7.469 1.00 0.00 C ATOM 0 H LEU A 37 2.708 18.094 6.815 1.00 0.00 H new ATOM 0 HA LEU A 37 3.868 15.873 5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.570 15.798 7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.114 16.320 7.040 1.00 0.00 H new ATOM 0 HG LEU A 37 1.455 14.025 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.289 12.277 7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.560 13.451 6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.763 13.530 8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.073 12.979 7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.309 14.259 8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.527 14.665 7.012 1.00 0.00 H new ATOM 500 N PRO A 38 2.888 14.811 3.844 1.00 0.00 N ATOM 501 CA PRO A 38 2.447 14.280 2.551 1.00 0.00 C ATOM 502 C PRO A 38 1.113 13.549 2.649 1.00 0.00 C ATOM 503 O PRO A 38 0.589 13.336 3.742 1.00 0.00 O ATOM 504 CB PRO A 38 3.564 13.305 2.168 1.00 0.00 C ATOM 505 CG PRO A 38 4.170 12.895 3.466 1.00 0.00 C ATOM 506 CD PRO A 38 4.060 14.092 4.370 1.00 0.00 C ATOM 0 HA PRO A 38 2.284 15.072 1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.170 12.445 1.626 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.300 13.781 1.520 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.646 12.038 3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.211 12.599 3.335 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.918 13.798 5.410 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.959 14.707 4.333 1.00 0.00 H new ATOM 514 N VAL A 39 0.566 13.167 1.499 1.00 0.00 N ATOM 515 CA VAL A 39 -0.707 12.458 1.455 1.00 0.00 C ATOM 516 C VAL A 39 -0.541 11.066 0.855 1.00 0.00 C ATOM 517 O VAL A 39 -0.691 10.879 -0.353 1.00 0.00 O ATOM 518 CB VAL A 39 -1.755 13.236 0.638 1.00 0.00 C ATOM 519 CG1 VAL A 39 -3.012 12.401 0.448 1.00 0.00 C ATOM 520 CG2 VAL A 39 -2.081 14.560 1.314 1.00 0.00 C ATOM 0 H VAL A 39 0.985 13.337 0.585 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.054 12.367 2.484 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.338 13.449 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.741 12.967 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.762 11.482 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.435 12.154 1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.823 15.097 0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.478 14.371 2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.175 15.161 1.392 1.00 0.00 H new ATOM 530 N ILE A 40 -0.233 10.094 1.705 1.00 0.00 N ATOM 531 CA ILE A 40 -0.048 8.719 1.259 1.00 0.00 C ATOM 532 C ILE A 40 -1.144 8.307 0.281 1.00 0.00 C ATOM 533 O ILE A 40 -2.332 8.389 0.594 1.00 0.00 O ATOM 534 CB ILE A 40 -0.039 7.737 2.446 1.00 0.00 C ATOM 535 CG1 ILE A 40 1.089 8.089 3.417 1.00 0.00 C ATOM 536 CG2 ILE A 40 0.108 6.307 1.949 1.00 0.00 C ATOM 537 CD1 ILE A 40 2.469 7.965 2.811 1.00 0.00 C ATOM 0 H ILE A 40 -0.106 10.233 2.708 1.00 0.00 H new ATOM 0 HA ILE A 40 0.919 8.677 0.757 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.988 7.820 2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.947 9.110 3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.024 7.437 4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.113 5.625 2.799 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.727 6.062 1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.044 6.207 1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.219 8.230 3.556 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.631 6.939 2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.553 8.637 1.957 1.00 0.00 H new ATOM 549 N SER A 41 -0.736 7.862 -0.903 1.00 0.00 N ATOM 550 CA SER A 41 -1.684 7.439 -1.928 1.00 0.00 C ATOM 551 C SER A 41 -1.246 6.122 -2.561 1.00 0.00 C ATOM 552 O SER A 41 -0.081 5.951 -2.923 1.00 0.00 O ATOM 553 CB SER A 41 -1.817 8.516 -3.006 1.00 0.00 C ATOM 554 OG SER A 41 -2.665 9.566 -2.574 1.00 0.00 O ATOM 0 H SER A 41 0.244 7.785 -1.176 1.00 0.00 H new ATOM 0 HA SER A 41 -2.653 7.290 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.832 8.916 -3.249 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.216 8.074 -3.919 1.00 0.00 H new ATOM 0 HG SER A 41 -2.207 10.095 -1.887 1.00 0.00 H new ATOM 560 N TRP A 42 -2.187 5.194 -2.692 1.00 0.00 N ATOM 561 CA TRP A 42 -1.899 3.891 -3.282 1.00 0.00 C ATOM 562 C TRP A 42 -2.571 3.750 -4.643 1.00 0.00 C ATOM 563 O TRP A 42 -3.796 3.814 -4.752 1.00 0.00 O ATOM 564 CB TRP A 42 -2.367 2.772 -2.350 1.00 0.00 C ATOM 565 CG TRP A 42 -1.721 2.816 -0.998 1.00 0.00 C ATOM 566 CD1 TRP A 42 -2.175 3.480 0.105 1.00 0.00 C ATOM 567 CD2 TRP A 42 -0.504 2.171 -0.609 1.00 0.00 C ATOM 568 NE1 TRP A 42 -1.313 3.287 1.158 1.00 0.00 N ATOM 569 CE2 TRP A 42 -0.280 2.487 0.746 1.00 0.00 C ATOM 570 CE3 TRP A 42 0.418 1.357 -1.272 1.00 0.00 C ATOM 571 CZ2 TRP A 42 0.828 2.016 1.446 1.00 0.00 C ATOM 572 CZ3 TRP A 42 1.517 0.891 -0.575 1.00 0.00 C ATOM 573 CH2 TRP A 42 1.714 1.221 0.773 1.00 0.00 C ATOM 0 H TRP A 42 -3.156 5.319 -2.398 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.821 3.812 -3.420 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.448 2.837 -2.230 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.155 1.809 -2.815 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.079 4.070 0.144 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.424 3.676 2.094 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.275 1.097 -2.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.982 2.270 2.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.236 0.262 -1.078 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.582 0.840 1.290 1.00 0.00 H new ATOM 584 N LEU A 43 -1.762 3.557 -5.680 1.00 0.00 N ATOM 585 CA LEU A 43 -2.279 3.406 -7.036 1.00 0.00 C ATOM 586 C LEU A 43 -2.152 1.961 -7.509 1.00 0.00 C ATOM 587 O LEU A 43 -1.050 1.477 -7.770 1.00 0.00 O ATOM 588 CB LEU A 43 -1.534 4.337 -7.994 1.00 0.00 C ATOM 589 CG LEU A 43 -1.926 5.813 -7.936 1.00 0.00 C ATOM 590 CD1 LEU A 43 -0.972 6.652 -8.771 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.360 6.003 -8.408 1.00 0.00 C ATOM 0 H LEU A 43 -0.746 3.501 -5.607 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.335 3.674 -7.028 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.466 4.257 -7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.691 3.980 -9.012 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.859 6.147 -6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.267 7.700 -8.718 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.042 6.540 -8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.006 6.318 -9.808 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.622 7.060 -8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.454 5.652 -9.436 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.033 5.433 -7.767 1.00 0.00 H new ATOM 603 N LYS A 44 -3.286 1.278 -7.621 1.00 0.00 N ATOM 604 CA LYS A 44 -3.303 -0.110 -8.067 1.00 0.00 C ATOM 605 C LYS A 44 -3.258 -0.193 -9.590 1.00 0.00 C ATOM 606 O LYS A 44 -4.249 0.083 -10.264 1.00 0.00 O ATOM 607 CB LYS A 44 -4.553 -0.820 -7.544 1.00 0.00 C ATOM 608 CG LYS A 44 -4.523 -2.326 -7.739 1.00 0.00 C ATOM 609 CD LYS A 44 -5.755 -2.989 -7.145 1.00 0.00 C ATOM 610 CE LYS A 44 -5.534 -4.478 -6.924 1.00 0.00 C ATOM 611 NZ LYS A 44 -6.341 -4.995 -5.783 1.00 0.00 N ATOM 0 H LYS A 44 -4.206 1.664 -7.409 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.418 -0.605 -7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.667 -0.602 -6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.429 -0.414 -8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.462 -2.555 -8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.627 -2.737 -7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.005 -2.512 -6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.606 -2.841 -7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.797 -5.023 -7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.477 -4.664 -6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.705 -5.360 -5.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.921 -4.226 -5.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.961 -5.761 -6.115 1.00 0.00 H new ATOM 625 N GLU A 45 -2.102 -0.575 -10.123 1.00 0.00 N ATOM 626 CA GLU A 45 -1.930 -0.695 -11.566 1.00 0.00 C ATOM 627 C GLU A 45 -2.291 0.612 -12.267 1.00 0.00 C ATOM 628 O GLU A 45 -2.920 0.609 -13.325 1.00 0.00 O ATOM 629 CB GLU A 45 -2.793 -1.834 -12.113 1.00 0.00 C ATOM 630 CG GLU A 45 -2.326 -3.213 -11.678 1.00 0.00 C ATOM 631 CD GLU A 45 -3.147 -4.329 -12.295 1.00 0.00 C ATOM 632 OE1 GLU A 45 -2.944 -4.621 -13.493 1.00 0.00 O ATOM 633 OE2 GLU A 45 -3.991 -4.909 -11.582 1.00 0.00 O ATOM 0 H GLU A 45 -1.271 -0.806 -9.578 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.881 -0.917 -11.763 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.822 -1.688 -11.786 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.795 -1.787 -13.202 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.279 -3.342 -11.954 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.380 -3.285 -10.592 1.00 0.00 H new ATOM 640 N GLY A 46 -1.888 1.729 -11.669 1.00 0.00 N ATOM 641 CA GLY A 46 -2.178 3.027 -12.249 1.00 0.00 C ATOM 642 C GLY A 46 -3.639 3.408 -12.116 1.00 0.00 C ATOM 643 O GLY A 46 -4.273 3.815 -13.090 1.00 0.00 O ATOM 0 H GLY A 46 -1.366 1.758 -10.793 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.563 3.784 -11.763 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.902 3.020 -13.303 1.00 0.00 H new ATOM 647 N PHE A 47 -4.177 3.274 -10.908 1.00 0.00 N ATOM 648 CA PHE A 47 -5.574 3.604 -10.652 1.00 0.00 C ATOM 649 C PHE A 47 -5.795 3.924 -9.177 1.00 0.00 C ATOM 650 O PHE A 47 -5.125 3.374 -8.302 1.00 0.00 O ATOM 651 CB PHE A 47 -6.480 2.446 -11.076 1.00 0.00 C ATOM 652 CG PHE A 47 -6.698 2.368 -12.560 1.00 0.00 C ATOM 653 CD1 PHE A 47 -7.596 3.217 -13.187 1.00 0.00 C ATOM 654 CD2 PHE A 47 -6.007 1.445 -13.328 1.00 0.00 C ATOM 655 CE1 PHE A 47 -7.799 3.148 -14.552 1.00 0.00 C ATOM 656 CE2 PHE A 47 -6.206 1.372 -14.693 1.00 0.00 C ATOM 657 CZ PHE A 47 -7.104 2.224 -15.306 1.00 0.00 C ATOM 0 H PHE A 47 -3.666 2.939 -10.091 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.826 4.487 -11.239 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.044 1.509 -10.731 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.445 2.550 -10.580 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.144 3.941 -12.602 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.305 0.775 -12.854 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.501 3.816 -15.029 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.660 0.649 -15.281 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.262 2.167 -16.373 1.00 0.00 H new ATOM 667 N THR A 48 -6.741 4.820 -8.907 1.00 0.00 N ATOM 668 CA THR A 48 -7.050 5.216 -7.539 1.00 0.00 C ATOM 669 C THR A 48 -7.326 3.999 -6.664 1.00 0.00 C ATOM 670 O THR A 48 -8.122 3.131 -7.023 1.00 0.00 O ATOM 671 CB THR A 48 -8.269 6.157 -7.489 1.00 0.00 C ATOM 672 OG1 THR A 48 -8.442 6.663 -6.161 1.00 0.00 O ATOM 673 CG2 THR A 48 -9.531 5.431 -7.930 1.00 0.00 C ATOM 0 H THR A 48 -7.306 5.284 -9.618 1.00 0.00 H new ATOM 0 HA THR A 48 -6.176 5.744 -7.157 1.00 0.00 H new ATOM 0 HB THR A 48 -8.089 6.987 -8.173 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.218 7.262 -6.137 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.378 6.115 -7.887 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.406 5.072 -8.952 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.714 4.584 -7.268 1.00 0.00 H new ATOM 681 N PHE A 49 -6.664 3.941 -5.513 1.00 0.00 N ATOM 682 CA PHE A 49 -6.838 2.829 -4.585 1.00 0.00 C ATOM 683 C PHE A 49 -6.417 3.227 -3.174 1.00 0.00 C ATOM 684 O PHE A 49 -5.404 3.896 -2.966 1.00 0.00 O ATOM 685 CB PHE A 49 -6.025 1.618 -5.050 1.00 0.00 C ATOM 686 CG PHE A 49 -6.382 0.347 -4.334 1.00 0.00 C ATOM 687 CD1 PHE A 49 -7.474 -0.406 -4.734 1.00 0.00 C ATOM 688 CD2 PHE A 49 -5.626 -0.094 -3.259 1.00 0.00 C ATOM 689 CE1 PHE A 49 -7.805 -1.577 -4.078 1.00 0.00 C ATOM 690 CE2 PHE A 49 -5.952 -1.264 -2.600 1.00 0.00 C ATOM 691 CZ PHE A 49 -7.044 -2.006 -3.009 1.00 0.00 C ATOM 0 H PHE A 49 -6.002 4.651 -5.200 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.895 2.564 -4.568 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.176 1.478 -6.120 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.965 1.824 -4.902 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -8.074 -0.074 -5.568 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.773 0.483 -2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.658 -2.155 -4.401 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.354 -1.599 -1.766 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.301 -2.919 -2.493 1.00 0.00 H new ATOM 701 N PRO A 50 -7.213 2.808 -2.179 1.00 0.00 N ATOM 702 CA PRO A 50 -8.421 2.012 -2.414 1.00 0.00 C ATOM 703 C PRO A 50 -9.525 2.820 -3.089 1.00 0.00 C ATOM 704 O PRO A 50 -10.109 2.384 -4.080 1.00 0.00 O ATOM 705 CB PRO A 50 -8.850 1.593 -1.006 1.00 0.00 C ATOM 706 CG PRO A 50 -8.284 2.641 -0.110 1.00 0.00 C ATOM 707 CD PRO A 50 -6.995 3.079 -0.748 1.00 0.00 C ATOM 0 HA PRO A 50 -8.232 1.173 -3.084 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.936 1.544 -0.921 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.465 0.605 -0.752 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.973 3.479 -0.006 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.110 2.246 0.891 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.794 4.135 -0.565 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.144 2.521 -0.358 1.00 0.00 H new ATOM 715 N GLY A 51 -9.806 4.000 -2.544 1.00 0.00 N ATOM 716 CA GLY A 51 -10.839 4.850 -3.107 1.00 0.00 C ATOM 717 C GLY A 51 -12.171 4.687 -2.402 1.00 0.00 C ATOM 718 O GLY A 51 -12.297 4.999 -1.218 1.00 0.00 O ATOM 0 H GLY A 51 -9.337 4.382 -1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.523 5.891 -3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.960 4.617 -4.165 1.00 0.00 H new ATOM 772 N ARG A 55 -13.945 -2.458 2.578 1.00 0.00 N ATOM 773 CA ARG A 55 -12.926 -3.475 2.800 1.00 0.00 C ATOM 774 C ARG A 55 -11.532 -2.854 2.816 1.00 0.00 C ATOM 775 O ARG A 55 -10.779 -3.018 3.776 1.00 0.00 O ATOM 776 CB ARG A 55 -13.003 -4.551 1.715 1.00 0.00 C ATOM 777 CG ARG A 55 -14.337 -5.279 1.674 1.00 0.00 C ATOM 778 CD ARG A 55 -14.220 -6.615 0.956 1.00 0.00 C ATOM 779 NE ARG A 55 -13.952 -6.448 -0.470 1.00 0.00 N ATOM 780 CZ ARG A 55 -14.151 -7.402 -1.372 1.00 0.00 C ATOM 781 NH1 ARG A 55 -14.618 -8.586 -0.998 1.00 0.00 N ATOM 782 NH2 ARG A 55 -13.884 -7.174 -2.652 1.00 0.00 N ATOM 0 HA ARG A 55 -13.113 -3.933 3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.820 -4.090 0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.207 -5.277 1.878 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.696 -5.441 2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.077 -4.657 1.170 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.420 -7.201 1.409 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.143 -7.179 1.088 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.592 -5.549 -0.791 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.825 -8.765 -0.015 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.770 -9.317 -1.693 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.525 -6.265 -2.944 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.037 -7.908 -3.344 1.00 0.00 H new ATOM 796 N ALA A 56 -11.195 -2.140 1.747 1.00 0.00 N ATOM 797 CA ALA A 56 -9.894 -1.494 1.639 1.00 0.00 C ATOM 798 C ALA A 56 -9.897 -0.135 2.330 1.00 0.00 C ATOM 799 O ALA A 56 -10.790 0.684 2.110 1.00 0.00 O ATOM 800 CB ALA A 56 -9.498 -1.343 0.177 1.00 0.00 C ATOM 0 H ALA A 56 -11.806 -1.995 0.943 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.160 -2.126 2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.524 -0.859 0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.446 -2.327 -0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.240 -0.735 -0.340 1.00 0.00 H new ATOM 806 N THR A 57 -8.892 0.100 3.169 1.00 0.00 N ATOM 807 CA THR A 57 -8.780 1.359 3.895 1.00 0.00 C ATOM 808 C THR A 57 -7.362 1.572 4.411 1.00 0.00 C ATOM 809 O THR A 57 -6.581 0.626 4.517 1.00 0.00 O ATOM 810 CB THR A 57 -9.760 1.412 5.082 1.00 0.00 C ATOM 811 OG1 THR A 57 -9.903 2.761 5.539 1.00 0.00 O ATOM 812 CG2 THR A 57 -9.273 0.533 6.225 1.00 0.00 C ATOM 0 H THR A 57 -8.144 -0.566 3.362 1.00 0.00 H new ATOM 0 HA THR A 57 -9.030 2.153 3.191 1.00 0.00 H new ATOM 0 HB THR A 57 -10.727 1.039 4.744 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.529 2.786 6.293 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.981 0.586 7.052 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.193 -0.498 5.882 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.296 0.881 6.561 1.00 0.00 H new ATOM 820 N ILE A 58 -7.035 2.820 4.731 1.00 0.00 N ATOM 821 CA ILE A 58 -5.710 3.155 5.238 1.00 0.00 C ATOM 822 C ILE A 58 -5.765 3.522 6.717 1.00 0.00 C ATOM 823 O ILE A 58 -6.802 3.949 7.223 1.00 0.00 O ATOM 824 CB ILE A 58 -5.087 4.325 4.453 1.00 0.00 C ATOM 825 CG1 ILE A 58 -5.228 4.090 2.948 1.00 0.00 C ATOM 826 CG2 ILE A 58 -3.625 4.498 4.834 1.00 0.00 C ATOM 827 CD1 ILE A 58 -4.908 5.311 2.114 1.00 0.00 C ATOM 0 H ILE A 58 -7.669 3.615 4.648 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.088 2.269 5.109 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.620 5.241 4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.568 3.275 2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.247 3.769 2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.198 5.328 4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.549 4.706 5.901 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.078 3.584 4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.029 5.072 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.585 6.122 2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.879 5.620 2.301 1.00 0.00 H new ATOM 888 N GLY A 62 -0.306 5.428 7.221 1.00 0.00 N ATOM 889 CA GLY A 62 -0.248 5.007 5.834 1.00 0.00 C ATOM 890 C GLY A 62 -0.160 3.500 5.688 1.00 0.00 C ATOM 891 O GLY A 62 0.707 2.986 4.981 1.00 0.00 O ATOM 0 HA2 GLY A 62 -1.133 5.368 5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.616 5.466 5.354 1.00 0.00 H new ATOM 895 N THR A 63 -1.060 2.789 6.361 1.00 0.00 N ATOM 896 CA THR A 63 -1.079 1.333 6.305 1.00 0.00 C ATOM 897 C THR A 63 -2.273 0.828 5.504 1.00 0.00 C ATOM 898 O THR A 63 -3.392 0.761 6.014 1.00 0.00 O ATOM 899 CB THR A 63 -1.126 0.718 7.717 1.00 0.00 C ATOM 900 OG1 THR A 63 -0.242 1.429 8.591 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.736 -0.752 7.680 1.00 0.00 C ATOM 0 H THR A 63 -1.785 3.198 6.951 1.00 0.00 H new ATOM 0 HA THR A 63 -0.158 1.024 5.811 1.00 0.00 H new ATOM 0 HB THR A 63 -2.147 0.798 8.090 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.279 1.033 9.487 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.776 -1.165 8.688 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.428 -1.296 7.037 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.276 -0.850 7.288 1.00 0.00 H new ATOM 909 N LEU A 64 -2.029 0.474 4.247 1.00 0.00 N ATOM 910 CA LEU A 64 -3.086 -0.026 3.374 1.00 0.00 C ATOM 911 C LEU A 64 -3.510 -1.432 3.783 1.00 0.00 C ATOM 912 O LEU A 64 -2.744 -2.386 3.647 1.00 0.00 O ATOM 913 CB LEU A 64 -2.614 -0.026 1.919 1.00 0.00 C ATOM 914 CG LEU A 64 -3.710 0.079 0.858 1.00 0.00 C ATOM 915 CD1 LEU A 64 -3.181 -0.350 -0.502 1.00 0.00 C ATOM 916 CD2 LEU A 64 -4.916 -0.762 1.252 1.00 0.00 C ATOM 0 H LEU A 64 -1.109 0.524 3.809 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.947 0.635 3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.923 0.806 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.050 -0.942 1.741 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.024 1.121 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.976 -0.268 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.349 0.294 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.838 -1.383 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.686 -0.675 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.616 -1.805 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.311 -0.408 2.204 1.00 0.00 H new ATOM 928 N GLN A 65 -4.736 -1.553 4.283 1.00 0.00 N ATOM 929 CA GLN A 65 -5.263 -2.844 4.710 1.00 0.00 C ATOM 930 C GLN A 65 -6.364 -3.321 3.769 1.00 0.00 C ATOM 931 O GLN A 65 -7.242 -2.549 3.384 1.00 0.00 O ATOM 932 CB GLN A 65 -5.801 -2.751 6.139 1.00 0.00 C ATOM 933 CG GLN A 65 -6.588 -3.976 6.574 1.00 0.00 C ATOM 934 CD GLN A 65 -7.488 -3.701 7.762 1.00 0.00 C ATOM 935 OE1 GLN A 65 -7.014 -3.428 8.865 1.00 0.00 O ATOM 936 NE2 GLN A 65 -8.796 -3.771 7.543 1.00 0.00 N ATOM 0 H GLN A 65 -5.382 -0.773 4.402 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.449 -3.568 4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.966 -2.604 6.824 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.439 -1.871 6.221 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.193 -4.329 5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.894 -4.778 6.827 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.146 -4.001 6.613 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.451 -3.595 8.305 1.00 0.00 H new ATOM 945 N ILE A 66 -6.310 -4.597 3.403 1.00 0.00 N ATOM 946 CA ILE A 66 -7.303 -5.177 2.507 1.00 0.00 C ATOM 947 C ILE A 66 -7.811 -6.512 3.041 1.00 0.00 C ATOM 948 O ILE A 66 -7.028 -7.417 3.328 1.00 0.00 O ATOM 949 CB ILE A 66 -6.732 -5.385 1.093 1.00 0.00 C ATOM 950 CG1 ILE A 66 -6.136 -4.080 0.562 1.00 0.00 C ATOM 951 CG2 ILE A 66 -7.815 -5.899 0.155 1.00 0.00 C ATOM 952 CD1 ILE A 66 -5.248 -4.269 -0.648 1.00 0.00 C ATOM 0 H ILE A 66 -5.589 -5.249 3.713 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.132 -4.471 2.454 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.938 -6.130 1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.947 -3.398 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.559 -3.604 1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.396 -6.041 -0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.197 -6.850 0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.628 -5.175 0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.861 -3.302 -0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.417 -4.925 -0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.826 -4.716 -1.457 1.00 0.00 H new ATOM 964 N LYS A 67 -9.129 -6.629 3.169 1.00 0.00 N ATOM 965 CA LYS A 67 -9.744 -7.854 3.665 1.00 0.00 C ATOM 966 C LYS A 67 -10.368 -8.650 2.523 1.00 0.00 C ATOM 967 O LYS A 67 -10.753 -8.087 1.499 1.00 0.00 O ATOM 968 CB LYS A 67 -10.809 -7.527 4.714 1.00 0.00 C ATOM 969 CG LYS A 67 -10.246 -6.899 5.977 1.00 0.00 C ATOM 970 CD LYS A 67 -11.130 -7.180 7.181 1.00 0.00 C ATOM 971 CE LYS A 67 -10.816 -6.239 8.334 1.00 0.00 C ATOM 972 NZ LYS A 67 -9.733 -6.772 9.206 1.00 0.00 N ATOM 0 H LYS A 67 -9.792 -5.889 2.936 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.965 -8.461 4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.542 -6.849 4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.339 -8.442 4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.244 -7.286 6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.151 -5.822 5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.177 -7.074 6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.990 -8.212 7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.519 -5.267 7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.716 -6.080 8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.549 -6.102 9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.026 -7.687 9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.867 -6.900 8.645 1.00 0.00 H new ATOM 986 N ASN A 68 -10.464 -9.963 2.706 1.00 0.00 N ATOM 987 CA ASN A 68 -11.042 -10.836 1.691 1.00 0.00 C ATOM 988 C ASN A 68 -10.244 -10.764 0.393 1.00 0.00 C ATOM 989 O ASN A 68 -10.810 -10.593 -0.688 1.00 0.00 O ATOM 990 CB ASN A 68 -12.500 -10.453 1.429 1.00 0.00 C ATOM 991 CG ASN A 68 -13.436 -10.967 2.505 1.00 0.00 C ATOM 992 OD1 ASN A 68 -14.163 -11.939 2.299 1.00 0.00 O ATOM 993 ND2 ASN A 68 -13.422 -10.316 3.662 1.00 0.00 N ATOM 0 H ASN A 68 -10.149 -10.446 3.548 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.004 -11.860 2.064 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.582 -9.368 1.368 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.809 -10.851 0.462 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.030 -10.617 4.424 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.803 -9.515 3.789 1.00 0.00 H new ATOM 1000 N LEU A 69 -8.927 -10.894 0.506 1.00 0.00 N ATOM 1001 CA LEU A 69 -8.050 -10.844 -0.659 1.00 0.00 C ATOM 1002 C LEU A 69 -8.556 -11.769 -1.761 1.00 0.00 C ATOM 1003 O LEU A 69 -9.334 -12.689 -1.506 1.00 0.00 O ATOM 1004 CB LEU A 69 -6.624 -11.234 -0.265 1.00 0.00 C ATOM 1005 CG LEU A 69 -5.977 -10.390 0.833 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -4.790 -11.122 1.440 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -5.547 -9.038 0.283 1.00 0.00 C ATOM 0 H LEU A 69 -8.443 -11.035 1.392 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.049 -9.822 -1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.630 -12.274 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.995 -11.181 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.715 -10.223 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.342 -10.506 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.126 -12.065 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.050 -11.321 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.089 -8.451 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.826 -9.185 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.418 -8.508 -0.103 1.00 0.00 H new ATOM 1019 N ARG A 70 -8.108 -11.520 -2.987 1.00 0.00 N ATOM 1020 CA ARG A 70 -8.514 -12.331 -4.129 1.00 0.00 C ATOM 1021 C ARG A 70 -7.326 -12.618 -5.042 1.00 0.00 C ATOM 1022 O ARG A 70 -6.417 -11.798 -5.170 1.00 0.00 O ATOM 1023 CB ARG A 70 -9.618 -11.622 -4.917 1.00 0.00 C ATOM 1024 CG ARG A 70 -10.930 -11.506 -4.159 1.00 0.00 C ATOM 1025 CD ARG A 70 -12.052 -11.015 -5.060 1.00 0.00 C ATOM 1026 NE ARG A 70 -12.526 -12.061 -5.963 1.00 0.00 N ATOM 1027 CZ ARG A 70 -13.486 -11.876 -6.862 1.00 0.00 C ATOM 1028 NH1 ARG A 70 -14.070 -10.691 -6.979 1.00 0.00 N ATOM 1029 NH2 ARG A 70 -13.862 -12.876 -7.648 1.00 0.00 N ATOM 0 H ARG A 70 -7.464 -10.763 -3.215 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.897 -13.279 -3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.275 -10.623 -5.188 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.792 -12.162 -5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.196 -12.476 -3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.808 -10.820 -3.321 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.881 -10.662 -4.447 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.702 -10.163 -5.644 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.096 -12.984 -5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.782 -9.919 -6.378 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.807 -10.552 -7.670 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.414 -13.788 -7.562 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.599 -12.733 -8.338 1.00 0.00 H new ATOM 1043 N ILE A 71 -7.341 -13.788 -5.673 1.00 0.00 N ATOM 1044 CA ILE A 71 -6.266 -14.183 -6.574 1.00 0.00 C ATOM 1045 C ILE A 71 -6.050 -13.138 -7.664 1.00 0.00 C ATOM 1046 O ILE A 71 -4.988 -13.082 -8.283 1.00 0.00 O ATOM 1047 CB ILE A 71 -6.555 -15.544 -7.233 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -6.822 -16.606 -6.165 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -5.393 -15.960 -8.122 1.00 0.00 C ATOM 1050 CD1 ILE A 71 -5.634 -16.873 -5.267 1.00 0.00 C ATOM 0 H ILE A 71 -8.086 -14.478 -5.576 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.363 -14.266 -5.970 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.446 -15.448 -7.854 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.666 -16.289 -5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.114 -17.536 -6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.613 -16.924 -8.581 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.246 -15.213 -8.902 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.487 -16.042 -7.522 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.896 -17.636 -4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.794 -17.220 -5.869 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.355 -15.955 -4.750 1.00 0.00 H new ATOM 1062 N SER A 72 -7.065 -12.310 -7.891 1.00 0.00 N ATOM 1063 CA SER A 72 -6.987 -11.268 -8.908 1.00 0.00 C ATOM 1064 C SER A 72 -6.376 -9.993 -8.334 1.00 0.00 C ATOM 1065 O SER A 72 -5.710 -9.237 -9.042 1.00 0.00 O ATOM 1066 CB SER A 72 -8.378 -10.971 -9.471 1.00 0.00 C ATOM 1067 OG SER A 72 -8.293 -10.244 -10.685 1.00 0.00 O ATOM 0 H SER A 72 -7.950 -12.341 -7.385 1.00 0.00 H new ATOM 0 HA SER A 72 -6.346 -11.627 -9.713 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.912 -11.906 -9.640 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.955 -10.402 -8.742 1.00 0.00 H new ATOM 0 HG SER A 72 -9.195 -10.068 -11.025 1.00 0.00 H new ATOM 1073 N ASP A 73 -6.608 -9.762 -7.046 1.00 0.00 N ATOM 1074 CA ASP A 73 -6.080 -8.580 -6.375 1.00 0.00 C ATOM 1075 C ASP A 73 -4.585 -8.427 -6.639 1.00 0.00 C ATOM 1076 O ASP A 73 -4.041 -7.324 -6.574 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.339 -8.664 -4.870 1.00 0.00 C ATOM 1078 CG ASP A 73 -7.718 -8.160 -4.491 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -8.211 -7.225 -5.155 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -8.304 -8.701 -3.530 1.00 0.00 O ATOM 0 H ASP A 73 -7.158 -10.377 -6.446 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.592 -7.705 -6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.231 -9.698 -4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.584 -8.082 -4.341 1.00 0.00 H new ATOM 1085 N THR A 74 -3.925 -9.542 -6.936 1.00 0.00 N ATOM 1086 CA THR A 74 -2.493 -9.533 -7.207 1.00 0.00 C ATOM 1087 C THR A 74 -2.126 -8.427 -8.191 1.00 0.00 C ATOM 1088 O THR A 74 -2.309 -8.572 -9.399 1.00 0.00 O ATOM 1089 CB THR A 74 -2.020 -10.885 -7.773 1.00 0.00 C ATOM 1090 OG1 THR A 74 -2.293 -11.932 -6.835 1.00 0.00 O ATOM 1091 CG2 THR A 74 -0.530 -10.851 -8.082 1.00 0.00 C ATOM 0 H THR A 74 -4.360 -10.463 -6.995 1.00 0.00 H new ATOM 0 HA THR A 74 -1.993 -9.350 -6.256 1.00 0.00 H new ATOM 0 HB THR A 74 -2.563 -11.076 -8.698 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.083 -12.433 -7.125 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.219 -11.817 -8.480 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.329 -10.073 -8.818 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.026 -10.639 -7.169 1.00 0.00 H new ATOM 1099 N GLY A 75 -1.608 -7.321 -7.665 1.00 0.00 N ATOM 1100 CA GLY A 75 -1.224 -6.207 -8.511 1.00 0.00 C ATOM 1101 C GLY A 75 -0.007 -5.472 -7.985 1.00 0.00 C ATOM 1102 O GLY A 75 0.575 -5.863 -6.973 1.00 0.00 O ATOM 0 H GLY A 75 -1.448 -7.177 -6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.017 -6.573 -9.517 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.059 -5.511 -8.591 1.00 0.00 H new ATOM 1106 N THR A 76 0.382 -4.404 -8.676 1.00 0.00 N ATOM 1107 CA THR A 76 1.539 -3.615 -8.274 1.00 0.00 C ATOM 1108 C THR A 76 1.113 -2.274 -7.687 1.00 0.00 C ATOM 1109 O THR A 76 0.877 -1.312 -8.418 1.00 0.00 O ATOM 1110 CB THR A 76 2.487 -3.364 -9.462 1.00 0.00 C ATOM 1111 OG1 THR A 76 3.243 -4.547 -9.744 1.00 0.00 O ATOM 1112 CG2 THR A 76 3.433 -2.210 -9.165 1.00 0.00 C ATOM 0 H THR A 76 -0.088 -4.066 -9.516 1.00 0.00 H new ATOM 0 HA THR A 76 2.066 -4.191 -7.513 1.00 0.00 H new ATOM 0 HB THR A 76 1.883 -3.103 -10.331 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.842 -4.380 -10.501 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.093 -2.052 -10.018 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.855 -1.304 -8.980 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.030 -2.446 -8.284 1.00 0.00 H new ATOM 1120 N TYR A 77 1.017 -2.217 -6.363 1.00 0.00 N ATOM 1121 CA TYR A 77 0.618 -0.994 -5.677 1.00 0.00 C ATOM 1122 C TYR A 77 1.760 0.016 -5.656 1.00 0.00 C ATOM 1123 O TYR A 77 2.934 -0.355 -5.629 1.00 0.00 O ATOM 1124 CB TYR A 77 0.172 -1.308 -4.248 1.00 0.00 C ATOM 1125 CG TYR A 77 -0.885 -2.386 -4.166 1.00 0.00 C ATOM 1126 CD1 TYR A 77 -2.189 -2.140 -4.580 1.00 0.00 C ATOM 1127 CD2 TYR A 77 -0.582 -3.649 -3.674 1.00 0.00 C ATOM 1128 CE1 TYR A 77 -3.159 -3.121 -4.506 1.00 0.00 C ATOM 1129 CE2 TYR A 77 -1.545 -4.636 -3.598 1.00 0.00 C ATOM 1130 CZ TYR A 77 -2.832 -4.367 -4.015 1.00 0.00 C ATOM 1131 OH TYR A 77 -3.794 -5.348 -3.940 1.00 0.00 O ATOM 0 H TYR A 77 1.210 -3.004 -5.743 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.218 -0.557 -6.223 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.040 -1.617 -3.665 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.213 -0.398 -3.788 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.448 -1.165 -4.966 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.424 -3.863 -3.345 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.168 -2.913 -4.831 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.292 -5.613 -3.214 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.777 -5.886 -4.759 1.00 0.00 H new ATOM 1141 N THR A 78 1.408 1.298 -5.667 1.00 0.00 N ATOM 1142 CA THR A 78 2.402 2.364 -5.649 1.00 0.00 C ATOM 1143 C THR A 78 2.105 3.374 -4.547 1.00 0.00 C ATOM 1144 O THR A 78 1.086 4.064 -4.581 1.00 0.00 O ATOM 1145 CB THR A 78 2.462 3.099 -7.001 1.00 0.00 C ATOM 1146 OG1 THR A 78 2.927 2.209 -8.023 1.00 0.00 O ATOM 1147 CG2 THR A 78 3.381 4.309 -6.920 1.00 0.00 C ATOM 0 H THR A 78 0.441 1.623 -5.688 1.00 0.00 H new ATOM 0 HA THR A 78 3.366 1.894 -5.457 1.00 0.00 H new ATOM 0 HB THR A 78 1.457 3.442 -7.247 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.961 2.684 -8.880 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.407 4.812 -7.887 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.009 4.999 -6.162 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.387 3.985 -6.653 1.00 0.00 H new ATOM 1155 N CYS A 79 3.002 3.458 -3.570 1.00 0.00 N ATOM 1156 CA CYS A 79 2.837 4.385 -2.457 1.00 0.00 C ATOM 1157 C CYS A 79 3.443 5.746 -2.788 1.00 0.00 C ATOM 1158 O CYS A 79 4.656 5.935 -2.701 1.00 0.00 O ATOM 1159 CB CYS A 79 3.487 3.818 -1.193 1.00 0.00 C ATOM 1160 SG CYS A 79 2.875 4.559 0.354 1.00 0.00 S ATOM 0 H CYS A 79 3.851 2.895 -3.527 1.00 0.00 H new ATOM 0 HA CYS A 79 1.769 4.516 -2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.316 2.742 -1.161 1.00 0.00 H new ATOM 0 HB3 CYS A 79 4.565 3.967 -1.253 1.00 0.00 H new ATOM 1165 N VAL A 80 2.589 6.691 -3.167 1.00 0.00 N ATOM 1166 CA VAL A 80 3.039 8.035 -3.509 1.00 0.00 C ATOM 1167 C VAL A 80 2.560 9.054 -2.481 1.00 0.00 C ATOM 1168 O VAL A 80 1.366 9.156 -2.203 1.00 0.00 O ATOM 1169 CB VAL A 80 2.538 8.456 -4.904 1.00 0.00 C ATOM 1170 CG1 VAL A 80 1.100 8.008 -5.113 1.00 0.00 C ATOM 1171 CG2 VAL A 80 2.668 9.961 -5.084 1.00 0.00 C ATOM 0 H VAL A 80 1.582 6.551 -3.245 1.00 0.00 H new ATOM 0 HA VAL A 80 4.129 8.012 -3.513 1.00 0.00 H new ATOM 0 HB VAL A 80 3.158 7.968 -5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.764 8.314 -6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.041 6.923 -5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.463 8.465 -4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.310 10.241 -6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.074 10.471 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.714 10.251 -4.981 1.00 0.00 H new ATOM 1181 N ALA A 81 3.500 9.806 -1.920 1.00 0.00 N ATOM 1182 CA ALA A 81 3.175 10.819 -0.923 1.00 0.00 C ATOM 1183 C ALA A 81 3.377 12.224 -1.482 1.00 0.00 C ATOM 1184 O ALA A 81 4.487 12.757 -1.461 1.00 0.00 O ATOM 1185 CB ALA A 81 4.018 10.620 0.328 1.00 0.00 C ATOM 0 H ALA A 81 4.494 9.733 -2.139 1.00 0.00 H new ATOM 0 HA ALA A 81 2.123 10.709 -0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.764 11.384 1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.820 9.633 0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.074 10.700 0.071 1.00 0.00 H new ATOM 1191 N THR A 82 2.299 12.818 -1.982 1.00 0.00 N ATOM 1192 CA THR A 82 2.359 14.160 -2.548 1.00 0.00 C ATOM 1193 C THR A 82 2.347 15.220 -1.452 1.00 0.00 C ATOM 1194 O THR A 82 1.847 14.984 -0.353 1.00 0.00 O ATOM 1195 CB THR A 82 1.182 14.418 -3.508 1.00 0.00 C ATOM 1196 OG1 THR A 82 0.953 13.263 -4.323 1.00 0.00 O ATOM 1197 CG2 THR A 82 1.461 15.622 -4.395 1.00 0.00 C ATOM 0 H THR A 82 1.373 12.391 -2.007 1.00 0.00 H new ATOM 0 HA THR A 82 3.294 14.227 -3.104 1.00 0.00 H new ATOM 0 HB THR A 82 0.294 14.624 -2.911 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.202 13.434 -4.929 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.616 15.785 -5.064 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.607 16.506 -3.774 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.360 15.440 -4.984 1.00 0.00 H new ATOM 1205 N SER A 83 2.900 16.389 -1.760 1.00 0.00 N ATOM 1206 CA SER A 83 2.956 17.484 -0.799 1.00 0.00 C ATOM 1207 C SER A 83 3.342 18.790 -1.487 1.00 0.00 C ATOM 1208 O SER A 83 4.048 18.789 -2.496 1.00 0.00 O ATOM 1209 CB SER A 83 3.956 17.165 0.313 1.00 0.00 C ATOM 1210 OG SER A 83 5.290 17.265 -0.156 1.00 0.00 O ATOM 0 H SER A 83 3.315 16.602 -2.667 1.00 0.00 H new ATOM 0 HA SER A 83 1.965 17.602 -0.362 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.808 17.851 1.147 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.775 16.159 0.692 1.00 0.00 H new ATOM 0 HG SER A 83 5.910 17.121 0.589 1.00 0.00 H new ATOM 1216 N SER A 84 2.875 19.904 -0.933 1.00 0.00 N ATOM 1217 CA SER A 84 3.167 21.218 -1.494 1.00 0.00 C ATOM 1218 C SER A 84 4.627 21.311 -1.929 1.00 0.00 C ATOM 1219 O SER A 84 4.941 21.889 -2.969 1.00 0.00 O ATOM 1220 CB SER A 84 2.857 22.313 -0.472 1.00 0.00 C ATOM 1221 OG SER A 84 1.459 22.480 -0.311 1.00 0.00 O ATOM 0 H SER A 84 2.293 19.923 -0.096 1.00 0.00 H new ATOM 0 HA SER A 84 2.535 21.360 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.309 22.058 0.487 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.304 23.253 -0.795 1.00 0.00 H new ATOM 0 HG SER A 84 1.287 23.184 0.349 1.00 0.00 H new ATOM 1227 N SER A 85 5.515 20.736 -1.124 1.00 0.00 N ATOM 1228 CA SER A 85 6.942 20.757 -1.421 1.00 0.00 C ATOM 1229 C SER A 85 7.231 20.056 -2.746 1.00 0.00 C ATOM 1230 O SER A 85 7.573 20.697 -3.738 1.00 0.00 O ATOM 1231 CB SER A 85 7.729 20.085 -0.295 1.00 0.00 C ATOM 1232 OG SER A 85 9.125 20.196 -0.511 1.00 0.00 O ATOM 0 H SER A 85 5.271 20.250 -0.261 1.00 0.00 H new ATOM 0 HA SER A 85 7.255 21.798 -1.503 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.468 20.543 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.451 19.033 -0.230 1.00 0.00 H new ATOM 0 HG SER A 85 9.605 19.760 0.224 1.00 0.00 H new ATOM 1238 N GLY A 86 7.089 18.734 -2.752 1.00 0.00 N ATOM 1239 CA GLY A 86 7.338 17.967 -3.959 1.00 0.00 C ATOM 1240 C GLY A 86 6.430 16.759 -4.076 1.00 0.00 C ATOM 1241 O GLY A 86 5.243 16.835 -3.761 1.00 0.00 O ATOM 0 H GLY A 86 6.806 18.181 -1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.198 18.609 -4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.377 17.639 -3.969 1.00 0.00 H new ATOM 1245 N GLU A 87 6.990 15.642 -4.531 1.00 0.00 N ATOM 1246 CA GLU A 87 6.221 14.413 -4.690 1.00 0.00 C ATOM 1247 C GLU A 87 7.145 13.213 -4.873 1.00 0.00 C ATOM 1248 O GLU A 87 8.172 13.302 -5.546 1.00 0.00 O ATOM 1249 CB GLU A 87 5.275 14.530 -5.887 1.00 0.00 C ATOM 1250 CG GLU A 87 4.290 13.378 -5.999 1.00 0.00 C ATOM 1251 CD GLU A 87 3.797 13.167 -7.417 1.00 0.00 C ATOM 1252 OE1 GLU A 87 4.556 12.598 -8.230 1.00 0.00 O ATOM 1253 OE2 GLU A 87 2.654 13.570 -7.715 1.00 0.00 O ATOM 0 H GLU A 87 7.972 15.563 -4.796 1.00 0.00 H new ATOM 0 HA GLU A 87 5.633 14.262 -3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.720 15.465 -5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.865 14.583 -6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.765 12.463 -5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.438 13.569 -5.347 1.00 0.00 H new ATOM 1260 N THR A 88 6.773 12.089 -4.267 1.00 0.00 N ATOM 1261 CA THR A 88 7.568 10.871 -4.360 1.00 0.00 C ATOM 1262 C THR A 88 6.679 9.648 -4.550 1.00 0.00 C ATOM 1263 O THR A 88 5.500 9.665 -4.197 1.00 0.00 O ATOM 1264 CB THR A 88 8.437 10.670 -3.105 1.00 0.00 C ATOM 1265 OG1 THR A 88 9.159 9.437 -3.201 1.00 0.00 O ATOM 1266 CG2 THR A 88 7.580 10.666 -1.848 1.00 0.00 C ATOM 0 H THR A 88 5.926 11.998 -3.706 1.00 0.00 H new ATOM 0 HA THR A 88 8.218 10.983 -5.228 1.00 0.00 H new ATOM 0 HB THR A 88 9.142 11.499 -3.042 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.710 9.318 -2.400 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.216 10.523 -0.974 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.055 11.618 -1.762 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.854 9.855 -1.905 1.00 0.00 H new ATOM 1274 N SER A 89 7.252 8.587 -5.109 1.00 0.00 N ATOM 1275 CA SER A 89 6.509 7.355 -5.348 1.00 0.00 C ATOM 1276 C SER A 89 7.388 6.133 -5.094 1.00 0.00 C ATOM 1277 O SER A 89 8.612 6.201 -5.207 1.00 0.00 O ATOM 1278 CB SER A 89 5.978 7.325 -6.782 1.00 0.00 C ATOM 1279 OG SER A 89 7.037 7.209 -7.717 1.00 0.00 O ATOM 0 H SER A 89 8.228 8.556 -5.405 1.00 0.00 H new ATOM 0 HA SER A 89 5.668 7.327 -4.656 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.291 6.487 -6.901 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.410 8.234 -6.982 1.00 0.00 H new ATOM 0 HG SER A 89 6.671 7.190 -8.626 1.00 0.00 H new ATOM 1285 N TRP A 90 6.754 5.018 -4.750 1.00 0.00 N ATOM 1286 CA TRP A 90 7.477 3.781 -4.479 1.00 0.00 C ATOM 1287 C TRP A 90 7.004 2.661 -5.400 1.00 0.00 C ATOM 1288 O TRP A 90 6.157 2.875 -6.268 1.00 0.00 O ATOM 1289 CB TRP A 90 7.293 3.367 -3.018 1.00 0.00 C ATOM 1290 CG TRP A 90 8.453 2.594 -2.469 1.00 0.00 C ATOM 1291 CD1 TRP A 90 8.508 1.248 -2.244 1.00 0.00 C ATOM 1292 CD2 TRP A 90 9.724 3.121 -2.073 1.00 0.00 C ATOM 1293 NE1 TRP A 90 9.737 0.907 -1.733 1.00 0.00 N ATOM 1294 CE2 TRP A 90 10.501 2.037 -1.619 1.00 0.00 C ATOM 1295 CE3 TRP A 90 10.282 4.402 -2.060 1.00 0.00 C ATOM 1296 CZ2 TRP A 90 11.805 2.199 -1.157 1.00 0.00 C ATOM 1297 CZ3 TRP A 90 11.575 4.561 -1.601 1.00 0.00 C ATOM 1298 CH2 TRP A 90 12.325 3.464 -1.155 1.00 0.00 C ATOM 0 H TRP A 90 5.741 4.945 -4.652 1.00 0.00 H new ATOM 0 HA TRP A 90 8.535 3.960 -4.668 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.141 4.260 -2.411 1.00 0.00 H new ATOM 0 HB3 TRP A 90 6.389 2.764 -2.930 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.704 0.554 -2.439 1.00 0.00 H new ATOM 0 HE1 TRP A 90 10.032 -0.036 -1.480 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.712 5.253 -2.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.385 1.356 -0.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 12.015 5.547 -1.585 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.334 3.621 -0.803 1.00 0.00 H new ATOM 1309 N SER A 91 7.555 1.468 -5.206 1.00 0.00 N ATOM 1310 CA SER A 91 7.192 0.316 -6.022 1.00 0.00 C ATOM 1311 C SER A 91 7.037 -0.934 -5.160 1.00 0.00 C ATOM 1312 O SER A 91 7.822 -1.169 -4.242 1.00 0.00 O ATOM 1313 CB SER A 91 8.248 0.076 -7.103 1.00 0.00 C ATOM 1314 OG SER A 91 9.495 -0.274 -6.528 1.00 0.00 O ATOM 0 H SER A 91 8.255 1.274 -4.490 1.00 0.00 H new ATOM 0 HA SER A 91 6.235 0.528 -6.500 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.916 -0.719 -7.770 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.363 0.974 -7.710 1.00 0.00 H new ATOM 0 HG SER A 91 10.153 -0.424 -7.239 1.00 0.00 H new ATOM 1320 N ALA A 92 6.018 -1.732 -5.464 1.00 0.00 N ATOM 1321 CA ALA A 92 5.761 -2.958 -4.719 1.00 0.00 C ATOM 1322 C ALA A 92 4.727 -3.825 -5.430 1.00 0.00 C ATOM 1323 O ALA A 92 4.069 -3.379 -6.370 1.00 0.00 O ATOM 1324 CB ALA A 92 5.296 -2.631 -3.308 1.00 0.00 C ATOM 0 H ALA A 92 5.358 -1.551 -6.220 1.00 0.00 H new ATOM 0 HA ALA A 92 6.693 -3.521 -4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.108 -3.556 -2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.068 -2.058 -2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.379 -2.044 -3.354 1.00 0.00 H new ATOM 1330 N VAL A 93 4.590 -5.067 -4.976 1.00 0.00 N ATOM 1331 CA VAL A 93 3.636 -5.997 -5.569 1.00 0.00 C ATOM 1332 C VAL A 93 3.187 -7.043 -4.556 1.00 0.00 C ATOM 1333 O VAL A 93 3.988 -7.541 -3.763 1.00 0.00 O ATOM 1334 CB VAL A 93 4.236 -6.710 -6.795 1.00 0.00 C ATOM 1335 CG1 VAL A 93 5.451 -7.532 -6.394 1.00 0.00 C ATOM 1336 CG2 VAL A 93 3.188 -7.584 -7.467 1.00 0.00 C ATOM 0 H VAL A 93 5.128 -5.452 -4.200 1.00 0.00 H new ATOM 0 HA VAL A 93 2.775 -5.409 -5.886 1.00 0.00 H new ATOM 0 HB VAL A 93 4.560 -5.955 -7.511 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.861 -8.028 -7.274 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.207 -6.877 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.157 -8.281 -5.659 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.628 -8.081 -8.332 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.832 -8.334 -6.760 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.352 -6.965 -7.791 1.00 0.00 H new ATOM 1346 N LEU A 94 1.901 -7.374 -4.586 1.00 0.00 N ATOM 1347 CA LEU A 94 1.343 -8.364 -3.670 1.00 0.00 C ATOM 1348 C LEU A 94 1.035 -9.668 -4.399 1.00 0.00 C ATOM 1349 O LEU A 94 0.156 -9.716 -5.260 1.00 0.00 O ATOM 1350 CB LEU A 94 0.073 -7.821 -3.013 1.00 0.00 C ATOM 1351 CG LEU A 94 -0.712 -8.810 -2.150 1.00 0.00 C ATOM 1352 CD1 LEU A 94 -0.057 -8.965 -0.787 1.00 0.00 C ATOM 1353 CD2 LEU A 94 -2.157 -8.357 -2.002 1.00 0.00 C ATOM 0 H LEU A 94 1.224 -6.972 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 94 2.085 -8.568 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.345 -6.966 -2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.587 -7.450 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.706 -9.781 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.629 -9.672 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.961 -9.335 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.032 -7.999 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.701 -9.072 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.184 -7.375 -1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.623 -8.299 -2.986 1.00 0.00 H new ATOM 1365 N ASP A 95 1.762 -10.722 -4.047 1.00 0.00 N ATOM 1366 CA ASP A 95 1.564 -12.028 -4.665 1.00 0.00 C ATOM 1367 C ASP A 95 0.566 -12.862 -3.867 1.00 0.00 C ATOM 1368 O ASP A 95 0.950 -13.638 -2.992 1.00 0.00 O ATOM 1369 CB ASP A 95 2.896 -12.771 -4.775 1.00 0.00 C ATOM 1370 CG ASP A 95 3.634 -12.450 -6.060 1.00 0.00 C ATOM 1371 OD1 ASP A 95 3.614 -11.273 -6.477 1.00 0.00 O ATOM 1372 OD2 ASP A 95 4.233 -13.375 -6.647 1.00 0.00 O ATOM 0 H ASP A 95 2.494 -10.698 -3.337 1.00 0.00 H new ATOM 0 HA ASP A 95 1.161 -11.871 -5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.525 -12.511 -3.924 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.715 -13.845 -4.722 1.00 0.00 H new ATOM 1377 N VAL A 96 -0.716 -12.694 -4.173 1.00 0.00 N ATOM 1378 CA VAL A 96 -1.769 -13.431 -3.484 1.00 0.00 C ATOM 1379 C VAL A 96 -1.968 -14.811 -4.101 1.00 0.00 C ATOM 1380 O VAL A 96 -2.317 -14.934 -5.276 1.00 0.00 O ATOM 1381 CB VAL A 96 -3.106 -12.666 -3.522 1.00 0.00 C ATOM 1382 CG1 VAL A 96 -4.231 -13.530 -2.973 1.00 0.00 C ATOM 1383 CG2 VAL A 96 -2.995 -11.364 -2.744 1.00 0.00 C ATOM 0 H VAL A 96 -1.051 -12.054 -4.893 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.452 -13.542 -2.447 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.338 -12.425 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.167 -12.973 -3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.323 -14.433 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.009 -13.803 -1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.948 -10.836 -2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.740 -11.581 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.218 -10.741 -3.186 1.00 0.00 H new ATOM 1393 N THR A 97 -1.744 -15.849 -3.301 1.00 0.00 N ATOM 1394 CA THR A 97 -1.898 -17.221 -3.768 1.00 0.00 C ATOM 1395 C THR A 97 -2.740 -18.041 -2.797 1.00 0.00 C ATOM 1396 O THR A 97 -3.010 -17.608 -1.677 1.00 0.00 O ATOM 1397 CB THR A 97 -0.532 -17.908 -3.953 1.00 0.00 C ATOM 1398 OG1 THR A 97 0.122 -18.047 -2.687 1.00 0.00 O ATOM 1399 CG2 THR A 97 0.351 -17.110 -4.901 1.00 0.00 C ATOM 0 H THR A 97 -1.455 -15.765 -2.326 1.00 0.00 H new ATOM 0 HA THR A 97 -2.405 -17.172 -4.732 1.00 0.00 H new ATOM 0 HB THR A 97 -0.702 -18.895 -4.384 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.741 -18.806 -2.720 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.310 -17.615 -5.016 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.137 -17.031 -5.873 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.513 -16.112 -4.494 1.00 0.00 H new ATOM 1407 N GLU A 98 -3.150 -19.228 -3.233 1.00 0.00 N ATOM 1408 CA GLU A 98 -3.961 -20.108 -2.400 1.00 0.00 C ATOM 1409 C GLU A 98 -3.150 -20.643 -1.223 1.00 0.00 C ATOM 1410 O GLU A 98 -3.670 -20.805 -0.119 1.00 0.00 O ATOM 1411 CB GLU A 98 -4.506 -21.273 -3.229 1.00 0.00 C ATOM 1412 CG GLU A 98 -5.369 -20.835 -4.401 1.00 0.00 C ATOM 1413 CD GLU A 98 -5.898 -22.005 -5.206 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -5.078 -22.737 -5.799 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -7.132 -22.190 -5.242 1.00 0.00 O ATOM 0 H GLU A 98 -2.934 -19.602 -4.157 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.797 -19.527 -2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.670 -21.863 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.091 -21.926 -2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.208 -20.246 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.786 -20.184 -5.053 1.00 0.00 H new ATOM 1422 N SER A 99 -1.872 -20.916 -1.468 1.00 0.00 N ATOM 1423 CA SER A 99 -0.990 -21.437 -0.431 1.00 0.00 C ATOM 1424 C SER A 99 -0.312 -20.300 0.328 1.00 0.00 C ATOM 1425 O SER A 99 0.041 -20.443 1.498 1.00 0.00 O ATOM 1426 CB SER A 99 0.067 -22.357 -1.045 1.00 0.00 C ATOM 1427 OG SER A 99 0.887 -21.651 -1.960 1.00 0.00 O ATOM 0 H SER A 99 -1.425 -20.785 -2.375 1.00 0.00 H new ATOM 0 HA SER A 99 -1.595 -22.009 0.272 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.684 -22.786 -0.255 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.421 -23.188 -1.555 1.00 0.00 H new ATOM 0 HG SER A 99 1.555 -22.260 -2.338 1.00 0.00 H new ATOM 1433 N GLY A 100 -0.134 -19.169 -0.349 1.00 0.00 N ATOM 1434 CA GLY A 100 0.501 -18.023 0.275 1.00 0.00 C ATOM 1435 C GLY A 100 1.862 -18.358 0.852 1.00 0.00 C ATOM 1436 O GLY A 100 2.787 -17.547 0.789 1.00 0.00 O ATOM 0 H GLY A 100 -0.418 -19.026 -1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.608 -17.225 -0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.143 -17.642 1.068 1.00 0.00 H new